2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C24H25F3N6O2 — CID 39933420

IUPAC2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)cn2)n1
InChIInChI=1S/C24H25F3N6O2/c1-16-13-17(2)33(30-16)21-8-7-18(14-28-21)23(35)32-11-9-31(10-12-32)15-22(34)29-20-6-4-3-5-19(20)24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,34)
InChIKeyOOIHWQVMMHAYDY-UHFFFAOYSA-N
MW486.50 g/mol
LogP3.30
Rot. Bonds5

About 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 39933420) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID39933420
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)cn2)n1
InChIInChI=1S/C24H25F3N6O2/c1-16-13-17(2)33(30-16)21-8-7-18(14-28-21)23(35)32-11-9-31(10-12-32)15-22(34)29-20-6-4-3-5-19(20)24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,34)
InChIKeyOOIHWQVMMHAYDY-UHFFFAOYSA-N
XLogP3.30
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30501843
2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849419
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37106094
2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547588
N-[2-(trifluoromethyl)phenyl]-2-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 5165836
2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851906
2-[4-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39760038
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356858
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27162104
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 39933420) is 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)cn2)n1.
What is the InChIKey of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OOIHWQVMMHAYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-16-13-17(2)33(30-16)21-8-7-18(14-28-21)23(35)32-11-9-31(10-12-32)15-22(34)29-20-6-4-3-5-19(20)24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,34).
What are the key properties of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 486.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 39933420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).